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60059-85-0 | 2-(2',4'-DINITROBENZYL)BENZIMIDAZOLE
CAS No: 60059-85-0 Catalog No: AG00EKZ5 MDL No:
Product Description
Catalog Number:
AG00EKZ5
Chemical Name:
2-(2',4'-DINITROBENZYL)BENZIMIDAZOLE
CAS Number:
60059-85-0
Molecular Formula:
C14H10N4O4
Molecular Weight:
298.2536
IUPAC Name:
2-[(2,4-dinitrophenyl)methyl]-1H-benzimidazole
InChI:
InChI=1S/C14H10N4O4/c19-17(20)10-6-5-9(13(8-10)18(21)22)7-14-15-11-3-1-2-4-12(11)16-14/h1-6,8H,7H2,(H,15,16)
InChI Key:
GPMIAXOIFANJPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cc1nc2c([nH]1)cccc2)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.258g/mol
Monoisotopic Mass:
298.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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